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ABD-1970

CAT: 0013-GTR19210006-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210006-01Size:25 mg
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Description
ABD-1970 is a potent and selective inhibitor of monoacylglycerol lipase (MGLL) . This compound is a valuable research tool for studying endocannabinoid signaling in preclinical models, with applications in neuropharmacology and pain research, both in vitro and in vivo.
CAS Number
2010154-82-0
Field of Research
Metabolism Research
Smiles
C (C1=C (N2CC3OC (C2) CC3) C=C (Cl) C=C1) N4CCN (C (OC (C (F) (F) F) C (F) (F) F) =O) CC4
Molecular Formula
C21H24ClF6N3O3
Molecular Weight
515.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzyl)piperazine-1-carboxylate
CAS Number2010154-82-0
PubChem CID122530045
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]piperazine-1-carboxylate
Molecular FormulaC21H24ClF6N3O3
Molecular Weight515.9
XLogP4.7
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity693
SMILES
C1CC2CN(CC1O2)C3=C(C=CC(=C3)Cl)CN4CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2
InChIKey
CXSFVTMRWPSLGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzyl)piperazine-1-carboxylate
CAS: 2010154-82-0
CID: 122530045
Formula: C21H24ClF6N3O3
MW: 515.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.9
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass515.1410383
Monoisotopic Mass515.1410383
Topological Polar Surface Area45.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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